NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4514 8.2493 122.4739 52.1226 20.6010 177.0322 2 T 3.9343 7.7983 110.6008 60.2952 70.2269 171.1775 3 K 4.9428 9.0295 131.5229 54.5744 33.2177 176.2760 4 A 4.9213 9.6661 129.5477 51.0690 20.8330 175.9360 5 V 4.7087 8.7480 117.7749 61.9283 36.0144 174.5101 6 A 4.4949 8.8854 127.1178 51.2735 21.2173 174.9949 7 V 4.1745 8.2033 120.6949 62.3138 31.6819 175.2341 8 L 4.0597 8.3080 128.2494 55.3172 43.1409 176.6632 9 K 4.2467 7.3719 118.9463 57.5150 35.1048 173.5830 10 G 4.3795 9.4356 121.8787 46.0124 0.0000 173.3147 11 D 4.4491 9.2025 119.3132 57.2069 42.1129 175.8077 12 G 3.9284 7.8963 111.8354 45.3431 0.0000 172.4819 13 P 4.2590 0.0000 0.0000 64.6916 31.6335 176.4332 14 V 3.9284 7.6969 119.8478 63.3227 29.7579 175.0130 15 Q 4.9347 8.2896 132.1566 53.8367 29.5440 175.2622 16 G 4.0385 8.2975 104.4035 46.6182 0.0000 173.4395 17 I 4.8695 9.5178 120.6884 59.8197 40.7694 174.1091 18 I 4.6121 8.6972 128.2190 59.0111 40.1582 174.0145 19 N 5.3153 8.4681 125.8865 51.3490 42.5870 173.4584 20 F 4.6286 9.2246 121.2461 55.8268 41.4680 173.9836 21 E 5.0725 8.6572 125.0664 53.8779 32.2680 175.4812 22 Q 4.5011 8.0739 126.0542 54.2899 27.9531 176.3766 23 K 4.5843 7.5606 122.6106 55.1442 31.3338 177.6060 24 E 4.7474 7.3876 116.4937 55.5157 33.9332 176.3752 25 S 4.5506 8.6661 118.3140 59.9499 63.5089 175.1254 26 N 4.9299 7.8242 118.1106 51.8867 36.8877 173.8069 27 G 4.4013 7.9633 104.6720 44.4198 0.0000 171.3099 28 P 4.7737 0.0000 0.0000 62.3863 32.8050 175.9362 29 V 4.1011 9.1678 121.6704 61.7127 32.7462 175.3443 30 K 4.5722 9.3797 129.3611 56.8447 32.3183 175.6923 31 V 4.0135 8.7857 126.8285 60.9724 33.0610 174.6552 32 W 5.6745 7.5615 123.0464 56.9006 31.9498 174.1463 33 G 4.2918 8.4149 107.5332 46.8141 0.0000 171.1456 34 S 5.2023 8.6425 115.3262 57.7537 67.7597 175.1396 35 I 4.3703 9.4236 127.3172 61.1476 39.2075 175.8262 36 K 4.4328 8.0990 122.7304 59.0141 34.6568 175.6645 37 G 3.6051 9.1734 121.4114 46.0052 0.0000 172.3799 38 L 4.3670 7.4445 120.5900 54.8970 42.5223 175.9835 39 T 4.8010 8.0344 107.7173 60.0252 71.9173 172.0914 40 E 3.7840 8.7523 126.3603 56.8421 29.8952 176.1753 41 G 4.0705 7.7505 113.3207 46.3219 0.0000 168.9346 42 L 5.4635 8.3885 119.7811 52.5867 44.3581 175.5672 43 H 5.2214 7.9169 117.7025 52.6822 31.6043 172.6792 44 G 4.1487 8.8605 110.2936 46.3098 0.0000 172.5636 45 F 4.5085 8.1702 123.5891 56.9861 40.5943 174.8344 46 H 4.9064 9.0862 118.2675 55.7733 28.9942 174.4029 47 V 3.1165 8.5536 119.8268 62.8912 28.2557 169.8030 48 H 4.7144 7.9288 116.2646 54.8292 30.7804 173.2380 49 E 4.5905 8.8667 123.8554 54.3007 31.8581 175.8433 50 E 3.9220 8.8479 124.3540 58.5111 29.7973 177.2803 51 E 4.5196 7.6289 113.2922 54.2124 32.9216 173.0133 52 D 5.2026 7.5060 126.3525 54.2258 42.8661 175.6582 53 N 5.0149 8.3210 121.3695 52.6199 38.7300 174.3338 54 T 4.0869 8.1399 113.5998 61.4016 69.1532 170.1070 55 A 3.7934 8.7588 132.8061 51.5976 18.6099 177.0998 56 G 3.9746 8.7345 110.9830 46.1425 0.0000 172.8913 57 C 4.8931 7.6521 113.3995 56.7139 44.1576 176.5124 58 T 4.5132 6.9002 115.3942 62.0509 69.9299 174.1628 59 S 4.5004 7.9035 110.9333 58.6938 65.8118 175.4693 60 A 4.6267 8.2877 130.7597 51.6406 26.3000 176.6950 61 G 3.9635 7.3734 103.9720 44.5859 0.0000 172.5768 62 P 4.6272 0.0000 0.0000 61.4428 30.1811 177.3201 63 H 4.0132 7.4109 108.7690 55.1336 30.8800 176.1216 64 F 4.0130 8.1734 118.4845 58.0451 36.8836 174.2525 65 N 5.1692 8.4848 119.7359 51.8585 42.0979 173.1347 66 P 4.6226 0.0000 0.0000 63.8913 31.9923 177.3421 67 L 4.2340 7.9393 120.5665 57.3985 42.1255 178.8335 68 S 4.3525 8.0987 111.4010 58.8802 63.9173 174.4644 69 R 4.3159 8.2761 123.0102 56.0374 28.8253 176.2442 70 K 4.7553 7.3403 114.3982 54.1193 36.0686 176.0044 71 H 3.8364 8.7984 117.0916 57.3562 28.2069 176.5495 72 G 3.5014 8.4498 106.5271 45.2646 0.0000 169.1293 73 G 3.6654 7.9752 109.4259 44.6470 0.0000 174.0236 74 P 4.5045 0.0000 0.0000 64.3401 32.6022 178.3503 75 K 4.0459 8.0007 116.9372 56.2174 32.6241 175.0122 76 D 4.1919 7.3069 118.2639 54.6241 37.7734 172.2536 77 E 4.4784 8.2026 121.5927 55.2036 31.3867 175.8260 78 E 4.8991 8.2707 127.5287 55.9245 31.6193 177.6466 79 R 3.5396 7.5933 115.4311 57.4903 28.6604 176.5153 80 H 4.5128 7.8443 117.2850 57.9555 29.8896 176.5898 81 V 4.4090 7.3732 119.8026 60.7566 33.2074 175.5571 82 G 4.0333 8.4674 105.2529 47.0047 0.0000 174.2844 83 D 4.5546 7.6736 120.4661 52.0047 40.8443 175.7223 84 L 4.0571 6.7135 121.9761 53.5727 43.1674 177.8786 85 G 3.8887 7.0958 114.0396 45.5867 0.0000 172.5802 86 N 5.2593 8.0860 113.3861 51.8188 44.0132 174.4675 87 V 4.9298 7.4981 113.9799 60.9367 35.3239 174.3960 88 T 5.4281 8.4232 114.9112 62.4179 70.3189 174.7735 89 A 4.1939 8.4857 129.6902 52.6179 20.3590 176.5849 90 D 4.1208 8.8104 121.7489 56.0405 39.3306 176.8463 91 K 4.6981 8.9591 112.1540 56.1492 35.1126 176.9767 92 D 4.5668 8.1289 116.5216 54.7208 42.7233 174.8708 93 G 4.4868 8.6158 109.8630 46.7423 0.0000 172.8848 94 V 4.0235 7.6609 119.0606 62.0545 31.0129 173.8148 95 A 4.8168 8.4487 129.4969 50.3376 20.6459 174.7053 96 D 5.8500 8.6538 121.9462 52.4360 43.7111 175.4651 97 V 4.6868 7.9942 122.3817 61.5138 35.8228 174.8828 98 S 4.9674 8.4189 116.6819 58.2927 63.9381 173.9052 99 I 4.8649 9.2452 126.3769 59.7571 42.4400 174.3174 100 E 5.0018 8.6441 120.4235 55.0966 31.6693 174.4122 101 D 4.9575 8.5660 125.4399 52.7779 42.5183 177.2969 102 S 4.3750 8.7363 117.1768 59.7798 64.9876 175.3035 103 V 3.6013 8.0774 119.7553 65.4453 31.0584 176.0162 104 I 4.2180 7.4271 111.0112 60.6644 38.9129 174.7009 105 S 4.6869 8.6300 114.3665 57.2210 67.3115 175.7245 106 L 4.0435 8.9397 125.2382 57.5892 41.5788 177.5603 107 S 4.8934 8.1153 109.3010 57.0702 66.9310 172.5276 108 G 4.1147 8.2725 109.1993 44.8084 0.0000 175.4386 109 D 4.4336 8.9449 123.7484 56.9529 41.6657 176.4901 110 H 4.9657 7.8176 115.6953 54.3397 27.8266 174.7578 111 S 4.6939 7.8506 112.5895 58.7042 63.3613 176.0103 112 I 4.0880 8.6163 119.0631 61.5575 38.4928 176.2227 113 I 3.6203 7.4551 123.4973 65.6119 35.9109 174.5175 114 G 3.2696 6.9458 118.8375 45.6046 0.0000 173.6427 115 R 4.3005 7.7768 121.5967 54.2315 30.9328 175.3870 116 T 4.3225 8.3498 120.9430 63.5497 66.6918 171.7066 117 L 4.4012 8.1878 126.7579 55.0569 43.5210 175.5642 118 V 4.6885 8.5208 124.8671 60.1768 35.5623 174.3774 119 V 4.7926 8.2933 113.4405 59.8798 34.3609 175.3285 120 H 4.6406 8.8681 120.7481 54.9557 29.6464 176.0539 121 E 4.3049 7.9605 123.9971 52.5711 27.5827 174.3602 122 K 4.1005 6.6357 121.6672 56.4896 35.6486 173.4088 123 A 5.1173 7.4936 121.5900 49.6104 20.3876 176.8527 124 D 4.8915 8.6701 122.2127 55.0106 41.5318 175.8786 125 D 4.2273 8.0371 115.2552 55.7776 40.0881 172.9354 126 L 3.6418 9.1705 112.1421 54.3807 39.5147 172.9096 127 G 3.7152 7.8909 104.5077 43.8467 0.0000 175.1398 128 K 4.0760 8.4707 124.6973 57.9592 33.5774 177.0320 129 G 4.2149 8.5946 110.1402 46.2918 0.0000 175.0479 130 G 3.9454 7.6469 107.8169 44.7704 0.0000 171.8697 131 N 4.9410 8.2139 115.2677 52.5455 40.1889 173.3800 132 E 3.9718 10.4316 119.0587 56.5609 28.5466 174.6616 133 Q 4.7908 7.6293 117.5909 56.7994 36.9800 175.6785 134 S 4.4148 7.8933 112.3336 59.7865 64.0873 175.2032 135 T 4.0809 7.8534 111.6515 63.0496 69.2830 176.1371 136 K 4.3547 8.1323 120.1261 57.4087 36.0041 176.7801 137 T 4.3942 8.3082 104.5641 60.9309 68.6013 175.2768 138 G 4.3254 9.4550 105.2871 45.6054 0.0000 172.8064 139 N 4.1942 8.5039 113.3482 52.5017 37.0390 171.6110 140 A 4.1747 8.1351 131.9707 52.7465 22.0560 178.3603 141 G 3.7526 8.0366 102.7063 46.7970 0.0000 171.9264 142 S 4.4909 7.6200 120.7374 56.0869 64.3247 173.4849 143 R 4.2009 8.2145 123.7115 56.0965 30.2074 175.7219 144 L 4.4989 7.7860 120.5343 56.0810 45.9455 177.5672 145 A 5.0220 7.5661 121.4664 52.2801 19.9098 178.5729 146 C 4.8986 8.0579 117.1194 55.7564 43.4222 175.2572 147 G 3.8961 9.3854 113.6190 44.7827 0.0000 172.2940 148 V 3.9756 7.4803 120.1296 62.8965 32.8892 175.6420 149 I 4.0730 8.2596 128.1101 60.1087 38.8121 174.4128 150 G 4.3906 8.5503 116.4940 43.9229 0.0000 171.4840 151 I 4.2978 8.3865 122.5760 61.6551 37.8464 174.9839 152 A 4.6771 8.4643 125.7323 50.8196 23.0215 176.1540 153 Q 4.1477 8.4913 118.6947 56.3112 29.2834 175.1838 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 A 8.25 4.45 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 T 7.80 3.93 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 3 K 9.03 4.94 0.00 2.03 1.74 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.82 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.79 7.81 4 A 9.67 4.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.75 4.71 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.90 0.00 0.00 6 A 8.89 4.49 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.20 4.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.92 0.00 0.00 8 L 8.31 4.06 0.00 1.73 1.62 1.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 9 K 7.37 4.25 0.00 1.78 1.59 0.00 1.86 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.12 7.81 10 G 9.44 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 9.20 4.45 0.00 2.62 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 7.90 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.26 0.00 2.18 2.18 0.00 3.72 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 14 V 7.70 3.93 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.92 0.00 0.00 15 Q 8.29 4.93 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.58 0.00 0.00 0.00 0.00 0.00 2.24 2.11 0.00 16 G 8.30 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 9.52 4.87 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.91 0.89 0.00 0.00 18 I 8.70 4.61 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.81 0.97 0.00 0.00 19 N 8.47 5.32 0.00 1.97 2.50 0.00 0.00 6.35 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 9.22 4.63 0.00 2.75 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.66 5.07 0.00 2.33 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 22 Q 8.07 4.50 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 7.38 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 23 K 7.56 4.58 0.00 1.83 1.81 0.00 1.89 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.54 7.81 24 E 7.39 4.75 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 25 S 8.67 4.55 0.00 3.87 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 N 7.82 4.93 0.00 2.76 2.83 0.00 0.00 5.80 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.96 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.77 0.00 2.07 2.13 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 29 V 9.17 4.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.01 0.00 0.00 30 K 9.38 4.57 0.00 1.98 2.13 0.00 1.61 0.00 0.00 1.36 0.00 0.00 2.40 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.59 1.40 7.81 31 V 8.79 4.01 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 -0.24 0.00 0.00 32 W 7.56 5.67 0.00 3.57 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.41 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.64 5.20 0.00 3.77 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 9.42 4.37 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.80 0.92 0.00 0.00 36 K 8.10 4.43 0.00 1.66 1.69 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.45 7.81 37 G 9.17 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.44 4.37 0.00 1.54 1.52 0.88 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.03 4.80 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 40 E 8.75 3.78 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.57 0.00 41 G 7.75 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.39 5.46 0.00 1.65 1.57 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 43 H 7.92 5.22 0.00 3.13 3.30 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.86 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.17 4.51 0.00 3.19 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 9.09 4.91 0.00 3.51 3.45 0.00 5.33 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.55 3.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.48 0.00 0.00 48 H 7.93 4.71 0.00 3.29 3.36 0.00 5.89 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.87 4.59 0.00 1.86 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 50 E 8.85 3.92 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 51 E 7.63 4.52 0.00 1.95 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.25 0.00 52 D 7.51 5.20 0.00 2.72 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.32 5.01 0.00 2.79 2.79 0.00 0.00 5.96 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.14 4.09 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 55 A 8.76 3.79 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.73 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 C 7.65 4.89 0.00 2.92 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 6.90 4.51 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 59 S 7.90 4.50 0.00 3.83 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.29 4.63 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 7.37 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.63 0.00 1.99 2.06 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.21 0.00 63 H 7.41 4.01 0.00 2.96 3.03 0.00 5.81 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.17 4.01 0.00 3.19 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.48 5.17 0.00 2.73 2.69 0.00 0.00 6.83 8.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.62 0.00 2.19 2.18 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 67 L 7.94 4.23 0.00 1.74 1.86 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.10 4.35 0.00 3.91 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 8.28 4.32 0.00 2.03 2.16 0.00 3.12 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 70 K 7.34 4.76 0.00 1.69 1.67 0.00 1.82 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.44 7.81 71 H 8.80 3.84 0.00 3.23 3.49 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.45 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 7.98 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.50 0.00 2.20 2.20 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 75 K 8.00 4.05 0.00 1.75 1.88 0.00 1.91 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.40 1.45 7.81 76 D 7.31 4.19 0.00 2.93 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.20 4.48 0.00 1.84 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.30 0.00 78 E 8.27 4.90 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.10 0.00 79 R 7.59 3.54 0.00 2.06 2.07 0.00 3.24 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.48 0.00 80 H 7.84 4.51 0.00 3.35 3.37 0.00 5.66 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 7.37 4.41 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.00 0.00 0.00 82 G 8.47 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 7.67 4.55 0.00 2.51 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 6.71 4.06 0.00 0.56 1.28 0.82 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 85 G 7.10 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 N 8.09 5.26 0.00 2.70 2.63 0.00 0.00 6.60 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.50 4.93 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.38 0.00 0.00 88 T 8.42 5.43 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 89 A 8.49 4.19 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.81 4.12 0.00 2.73 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.96 4.70 0.00 1.71 1.73 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.43 7.81 92 D 8.13 4.57 0.00 2.59 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.62 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.66 4.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.93 0.00 0.00 95 A 8.45 4.82 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.65 5.85 0.00 2.72 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.99 4.69 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.89 0.00 0.00 98 S 8.42 4.97 0.00 3.87 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 9.25 4.86 1.88 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.75 0.92 0.00 0.00 100 E 8.64 5.00 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 101 D 8.57 4.96 0.00 2.72 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.74 4.37 0.00 3.95 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 8.08 3.60 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.91 0.00 0.00 104 I 7.43 4.22 1.94 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.63 0.95 0.00 0.00 105 S 8.63 4.69 0.00 3.94 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.94 4.04 0.00 1.71 1.77 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.12 4.89 0.00 3.91 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.27 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 D 8.94 4.43 0.00 2.72 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 H 7.82 4.97 0.00 3.12 3.26 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 S 7.85 4.69 0.00 3.96 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.62 4.09 1.95 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.65 1.10 0.00 0.00 113 I 7.46 3.62 1.90 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.77 0.87 0.00 0.00 114 G 6.95 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 R 7.78 4.30 0.00 1.69 1.94 0.00 3.32 0.00 0.00 3.37 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 116 T 8.35 4.32 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 117 L 8.19 4.40 0.00 2.01 1.70 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.52 4.69 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.01 0.00 0.00 119 V 8.29 4.79 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.95 0.00 0.00 120 H 8.87 4.64 0.00 3.10 3.22 0.00 5.71 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 7.96 4.30 0.00 1.97 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 122 K 6.64 4.10 0.00 1.89 1.76 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.29 1.13 7.81 123 A 7.49 5.12 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.67 4.89 0.00 2.76 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 D 8.04 4.23 0.00 2.84 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 9.17 3.64 0.00 1.80 1.71 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 127 G 7.89 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 K 8.47 4.08 0.00 1.88 1.94 0.00 1.56 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.43 7.81 129 G 8.59 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 G 7.65 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 N 8.21 4.94 0.00 2.77 2.75 0.00 0.00 6.03 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 E 10.43 3.97 0.00 2.14 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 133 Q 7.63 4.79 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 134 S 7.89 4.41 0.00 4.23 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 7.85 4.08 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 136 K 8.13 4.35 0.00 2.11 2.11 0.00 1.65 0.00 0.00 2.02 0.00 0.00 3.14 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.39 1.68 7.81 137 T 8.31 4.39 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 138 G 9.45 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.50 4.19 0.00 2.77 2.78 0.00 0.00 7.07 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.14 4.17 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 G 8.04 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 S 7.62 4.49 0.00 3.88 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.21 4.20 0.00 1.80 1.86 0.00 3.39 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 144 L 7.79 4.50 0.00 1.64 1.60 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.57 5.02 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 C 8.06 4.90 0.00 2.95 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 G 9.39 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 7.48 3.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.91 0.00 0.00 149 I 8.26 4.07 1.26 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.42 0.55 0.00 0.00 150 G 8.55 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 8.39 4.30 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.84 0.91 0.00 0.00 152 A 8.46 4.68 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 8.49 4.15 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.60 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00